7-dodecyl-8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-dodecyl-8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-dodecyl-8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazino]methyl]-7-lauryl-1,3-dimethyl-xanthine Formula: C29H44N6O4 MolecularWeight: 540.69746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C29H44N6O4/c1-4-5-6-7-8-9-10-11-12-13-16-35-24(30-26-25(35)28(37)32(3)29(38)31(26)2)22-33-17-19-34(20-18-33)27(36)23-15-14-21-39-23/h14-15,21H,4-13,16-20,22H2,1-3H3